Information card for entry 8104673

Structure parameters

• Common name: di-<i>tert</i>-butyl dicarbonate
• Chemical name: di-<i>tert</i>-butyl dicarbonate
• Formula: C10 H18 O5
• Calculated formula: C10 H18 O5
• Title of publication: The crystal structure of di-tert-butyl dicarbonate, C10H18O5
• Authors of publication: Manana, Pholani; Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 1087 - 1089
• a: 11.3561 ± 0.0007 Å
• b: 11.4569 ± 0.0007 Å
• c: 10.9762 ± 0.0006 Å
• α: 90°
• β: 116.087 ± 0.002°
• γ: 90°
• Cell volume: 1282.59 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No